1-(azepan-1-yl)-2-[4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-methyl-2-phenyl-triazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-methyl-2-phenyl-triazole-4-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N6O2/c1-18-21(24-28(23-18)19-9-5-4-6-10-19)22(30)27-15-13-25(14-16-27)17-20(29)26-11-7-2-3-8-12-26/h4-6,9-10H,2-3,7-8,11-17H2,1H3/p+1